ChemSpider 2D Image | 3-Chloro-4,6-dihydroxy-5-[(2E,6E)-7-(4-hydroxy-5,5-dimethyltetrahydro-2-furanyl)-3-methyl-2,6-octadien-1-yl]-2-methylbenzaldehyde | C23H31ClO5

3-Chloro-4,6-dihydroxy-5-[(2E,6E)-7-(4-hydroxy-5,5-dimethyltetrahydro-2-furanyl)-3-methyl-2,6-octadien-1-yl]-2-methylbenzaldehyde

  • Molecular FormulaC23H31ClO5
  • Average mass422.942 Da
  • Monoisotopic mass422.186005 Da
  • ChemSpider ID64881982

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Chlor-4,6-dihydroxy-5-[(2E,6E)-7-(4-hydroxy-5,5-dimethyltetrahydro-2-furanyl)-3-methyl-2,6-octadien-1-yl]-2-methylbenzaldehyd [German] [ACD/IUPAC Name]
3-Chloro-4,6-dihydroxy-5-[(2E,6E)-7-(4-hydroxy-5,5-dimethyltetrahydro-2-furanyl)-3-methyl-2,6-octadien-1-yl]-2-methylbenzaldehyde [ACD/IUPAC Name]
3-Chloro-4,6-dihydroxy-5-[(2E,6E)-7-(4-hydroxy-5,5-diméthyltétrahydro-2-furanyl)-3-méthyl-2,6-octadién-1-yl]-2-méthylbenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3-methyl-7-(tetrahydro-4-hydroxy-5,5-dimethyl-2-furanyl)-2,6-octadien-1-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 588.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 310.0±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 117.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 12000.91
ACD/KOC (pH 5.5): 27756.71
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 984.79
ACD/KOC (pH 7.4): 2277.70
Polar Surface Area: 87 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 349.1±3.0 cm3

Click to predict properties on the Chemicalize site


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